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maldipickr: Dereplicate and Cherry-Pick Mass Spectrometry Spectra
Convenient wrapper functions for the analysis of matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) spectra data in order to select only representative spectra (also called cherry-pick). The package covers the preprocessing and dereplication steps (based on Strejcek, Smrhova, Junkova and Uhlik (2018) <doi:10.3389/fmicb.2018.01294>) needed to cluster MALDI-TOF spectra before the final cherry-picking step. It enables the easy exclusion of spectra and/or clusters to accommodate complex cherry-picking strategies. Alternatively, cherry-picking using taxonomic identification MALDI-TOF data is made easy with functions to import inconsistently formatted reports.
Getting started
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Package details |
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| Author | Charlie Pauvert [aut, cre, cph] (<https://orcid.org/0000-0001-9832-2507>), David Wylensek [ctb] (<https://orcid.org/0000-0002-8424-5712>), Selina Nüchtern [ctb], Thomas Clavel [ctb, fnd, cph] (<https://orcid.org/0000-0002-7229-5595>) |
| Maintainer | Charlie Pauvert <cpauvert@ukaachen.de> |
| License | GPL (>= 3) |
| Version | 1.3.1 |
| URL | https://github.com/ClavelLab/maldipickr https://clavellab.github.io/maldipickr/ |
| Package repository | View on CRAN |
| Installation |
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